4-[3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylpropoxy]-6-methyl-2-propyl-phenoxy]butanoic acid

Systemtic Name: 4-[3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylpropoxy]-6-methyl-2-propyl-phenoxy]butanoic acid Openeye Name: 4-[3-[3-(4-acetyl-3-hydroxy-2-propyl-phenyl)sulfanylpropoxy]-6-methyl-2-propyl-phenoxy]butanoic acid CAS Name: 4-[3-[3-[(4-acetyl-3-hydroxy-2-propylphenyl)thio]propoxy]-6-methyl-2-propylphenoxy]butanoic acid IUPAC Name: 4-[3-[3-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylpropoxy]-6-methyl-2-propylphenoxy]butanoic acid Traditional Name: 4-[3-[3-[(4-acetyl-3-hydroxy-2-propyl-phenyl)thio]propoxy]-6-methyl-2-propyl-phenoxy]butyric acid Formula: C28H38O6S MolecularWeight: 502.66272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCCCC(=O)O)C)OCCCSC2=C(C(=C(C=C2)C(=O)C)O)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1OCCCC(=O)O)C)OCCCSC2=C(C(=C(C=C2)C(=O)C)O)CCC

InChI

InChI=1S/C28H38O6S/c1-5-9-22-24(14-12-19(3)28(22)34-16-7-11-26(30)31)33-17-8-18-35-25-15-13-21(20(4)29)27(32)23(25)10-6-2/h12-15,32H,5-11,16-18H2,1-4H3,(H,30,31)